4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C10H10BrN3O2S — CID 39874242

IUPAC4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H10BrN3O2S/c1-14-7-9(6-12-14)13-17(15,16)10-4-2-8(11)3-5-10/h2-7,13H,1H3
InChIKeyDZKVQGDEPYDGSK-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.98
Rot. Bonds3

About 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 39874242) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID39874242
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H10BrN3O2S/c1-14-7-9(6-12-14)13-17(15,16)10-4-2-8(11)3-5-10/h2-7,13H,1H3
InChIKeyDZKVQGDEPYDGSK-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
US9156811, Ddd87766
CID 57397061
US9156811, Ddd100871
CID 58561190
US9156811, Ddd100875
CID 58561364
4-bromo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3716725
4-bromo-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810288
2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71912807
4-bromo-N-(1,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 17376813
4-Bromo-N-(1,3-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 22209076
4-Bromo-2,6-dichloro-N-(1-methyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 47183721
4-Bromo-2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561188
N-(1-tert-butylpyrazol-4-yl)-2,4,5-trifluorobenzenesulfonamide
CID 53602876

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 39874242) is 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is DZKVQGDEPYDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-14-7-9(6-12-14)13-17(15,16)10-4-2-8(11)3-5-10/h2-7,13H,1H3.
What are the key properties of 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 316.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 39874242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).